3-[(2-amino-3-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenylmethoxy-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-propan-2-yloxy-4-pyridinyl)methoxy]pyrazin-2-amine

C117H134N28O7 — CID 167557964

IUPAC3-[(2-amino-3-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenylmethoxy-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-propan-2-yloxy-4-pyridinyl)methoxy]pyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(OCc3ccnc(N)c3)n2)cc2c1CN(C)CC2.Cc1cc(-c2cnc(N)c(OCc3ccnc(N)c3C)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccncc3OC(C)C)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccncc3OCc3ccccc3)n2)cc2c1CCN(C)C2.Cc1cnc(N)cc1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N
InChIInChI=1S/C28H29N5O2.C24H29N5O2.2C22H26N6O.C21H24N6O/c1-19-12-22(13-23-16-33(2)11-9-24(19)23)25-14-31-27(29)28(32-25)35-18-21-8-10-30-15-26(21)34-17-20-6-4-3-5-7-20;1-15(2)31-22-12-26-7-5-17(22)14-30-24-23(25)27-11-21(28-24)18-9-16(3)20-6-8-29(4)13-19(20)10-18;1-13-8-16(9-17-11-28(3)7-5-18(13)17)19-10-26-21(24)22(27-19)29-12-15-4-6-25-20(23)14(15)2;1-13-6-15(7-16-11-28(3)5-4-18(13)16)19-10-26-21(24)22(27-19)29-12-17-8-20(23)25-9-14(17)2;1-13-7-16(9-15-4-6-27(2)11-17(13)15)18-10-25-20(23)21(26-18)28-12-14-3-5-24-19(22)8-14/h3-8,10,12-15H,9,11,16-18H2,1-2H3,(H2,29,31);5,7,9-12,15H,6,8,13-14H2,1-4H3,(H2,25,27);4,6,8-10H,5,7,11-12H2,1-3H3,(H2,23,25)(H2,24,26);6-10H,4-5,11-12H2,1-3H3,(H2,23,25)(H2,24,26);3,5,7-10H,4,6,11-12H2,1-2H3,(H2,22,24)(H2,23,25)
InChIKeyDGMVXKQZPRVXBF-UHFFFAOYSA-N
MW2044.55 g/mol
LogP16.71
Rot. Bonds25

About 3-[(2-amino-3-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenylmethoxy-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-propan-2-yloxy-4-pyridinyl)methoxy]pyrazin-2-amine

3-[(2-amino-3-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenylmethoxy-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-propan-2-yloxy-4-pyridinyl)methoxy]pyrazin-2-amine (PubChem CID 167557964) has the molecular formula C117H134N28O7 and a molecular weight of 2044.55 g/mol. Its IUPAC name is 3-[(2-amino-3-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenylmethoxy-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-propan-2-yloxy-4-pyridinyl)methoxy]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(2-amino-3-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenylmethoxy-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-propan-2-yloxy-4-pyridinyl)methoxy]pyrazin-2-amine
PubChem CID167557964
Molecular FormulaC117H134N28O7
Molecular Weight2044.55 g/mol
Exact Mass2043.10
IUPAC Name3-[(2-amino-3-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenylmethoxy-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-propan-2-yloxy-4-pyridinyl)methoxy]pyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(OCc3ccnc(N)c3)n2)cc2c1CN(C)CC2.Cc1cc(-c2cnc(N)c(OCc3ccnc(N)c3C)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccncc3OC(C)C)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccncc3OCc3ccccc3)n2)cc2c1CCN(C)C2.Cc1cnc(N)cc1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N
InChIInChI=1S/C28H29N5O2.C24H29N5O2.2C22H26N6O.C21H24N6O/c1-19-12-22(13-23-16-33(2)11-9-24(19)23)25-14-31-27(29)28(32-25)35-18-21-8-10-30-15-26(21)34-17-20-6-4-3-5-7-20;1-15(2)31-22-12-26-7-5-17(22)14-30-24-23(25)27-11-21(28-24)18-9-16(3)20-6-8-29(4)13-19(20)10-18;1-13-8-16(9-17-11-28(3)7-5-18(13)17)19-10-26-21(24)22(27-19)29-12-15-4-6-25-20(23)14(15)2;1-13-6-15(7-16-11-28(3)5-4-18(13)16)19-10-26-21(24)22(27-19)29-12-17-8-20(23)25-9-14(17)2;1-13-7-16(9-15-4-6-27(2)11-17(13)15)18-10-25-20(23)21(26-18)28-12-14-3-5-24-19(22)8-14/h3-8,10,12-15H,9,11,16-18H2,1-2H3,(H2,29,31);5,7,9-12,15H,6,8,13-14H2,1-4H3,(H2,25,27);4,6,8-10H,5,7,11-12H2,1-3H3,(H2,23,25)(H2,24,26);6-10H,4-5,11-12H2,1-3H3,(H2,23,25)(H2,24,26);3,5,7-10H,4,6,11-12H2,1-2H3,(H2,22,24)(H2,23,25)
InChIKeyDGMVXKQZPRVXBF-UHFFFAOYSA-N
XLogP16.71
TPSA482.32 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002044.55
LogP ≤ 516.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Analyze 3-[(2-amino-3-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenylmethoxy-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-propan-2-yloxy-4-pyridinyl)methoxy]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenylmethoxy-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-propan-2-yloxy-4-pyridinyl)methoxy]pyrazin-2-amine?
The IUPAC name of 3-[(2-amino-3-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenylmethoxy-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-propan-2-yloxy-4-pyridinyl)methoxy]pyrazin-2-amine (CID 167557964) is 3-[(2-amino-3-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenylmethoxy-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-propan-2-yloxy-4-pyridinyl)methoxy]pyrazin-2-amine.
What is the SMILES notation for 3-[(2-amino-3-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenylmethoxy-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-propan-2-yloxy-4-pyridinyl)methoxy]pyrazin-2-amine?
The canonical SMILES for 3-[(2-amino-3-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenylmethoxy-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-propan-2-yloxy-4-pyridinyl)methoxy]pyrazin-2-amine is Cc1cc(-c2cnc(N)c(OCc3ccnc(N)c3)n2)cc2c1CN(C)CC2.Cc1cc(-c2cnc(N)c(OCc3ccnc(N)c3C)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccncc3OC(C)C)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccncc3OCc3ccccc3)n2)cc2c1CCN(C)C2.Cc1cnc(N)cc1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.
What is the InChIKey of 3-[(2-amino-3-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenylmethoxy-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-propan-2-yloxy-4-pyridinyl)methoxy]pyrazin-2-amine?
The InChIKey is DGMVXKQZPRVXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2.C24H29N5O2.2C22H26N6O.C21H24N6O/c1-19-12-22(13-23-16-33(2)11-9-24(19)23)25-14-31-27(29)28(32-25)35-18-21-8-10-30-15-26(21)34-17-20-6-4-3-5-7-20;1-15(2)31-22-12-26-7-5-17(22)14-30-24-23(25)27-11-21(28-24)18-9-16(3)20-6-8-29(4)13-19(20)10-18;1-13-8-16(9-17-11-28(3)7-5-18(13)17)19-10-26-21(24)22(27-19)29-12-15-4-6-25-20(23)14(15)2;1-13-6-15(7-16-11-28(3)5-4-18(13)16)19-10-26-21(24)22(27-19)29-12-17-8-20(23)25-9-14(17)2;1-13-7-16(9-15-4-6-27(2)11-17(13)15)18-10-25-20(23)21(26-18)28-12-14-3-5-24-19(22)8-14/h3-8,10,12-15H,9,11,16-18H2,1-2H3,(H2,29,31);5,7,9-12,15H,6,8,13-14H2,1-4H3,(H2,25,27);4,6,8-10H,5,7,11-12H2,1-3H3,(H2,23,25)(H2,24,26);6-10H,4-5,11-12H2,1-3H3,(H2,23,25)(H2,24,26);3,5,7-10H,4,6,11-12H2,1-2H3,(H2,22,24)(H2,23,25).
What are the key properties of 3-[(2-amino-3-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenylmethoxy-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-propan-2-yloxy-4-pyridinyl)methoxy]pyrazin-2-amine?
3-[(2-amino-3-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenylmethoxy-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-propan-2-yloxy-4-pyridinyl)methoxy]pyrazin-2-amine has a molecular weight of 2044.55 g/mol, XLogP of 16.71, 25 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenylmethoxy-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-propan-2-yloxy-4-pyridinyl)methoxy]pyrazin-2-amine is sourced from PubChem (CID 167557964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).